Study : SA0851 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ATP_A_6(4YMV) / Model_30(4YMV/A) = [3.5] Download808.3215.22MNNVLLEVKDLETSLKINNEWLATVENISFELSKGEVLGIVGESGCGKSILSKSIIKLLPEKISKLSSGEVIFDGKRIDTLNEKQLLDIRGNDIAMIFQEPMTALNPVFTIKNQLVESIKSHKKISKKEANNLAKDLLKKVGIARQDEILNSYPHQLSGGMRQRVMIAMAISCSPKLLIADEPTTALDVTIQAQILDLLKELQKETQMAIMMITHDLSVVAEFCDKVLVMYAGQIVEFGGIKEILHNPKHPYTQKLLSTIPKLKEGQKRLETIEGIVPSIQAFHVNKCRFANRCNKKLDICNNQSPKMHVCEDVIVRCHLYKNEYKEI
Complex: ATP_G_7(2FGK) / Model_60(2FGK/C) = [3.7] Download710.235.21MNNVLLEVKDLETSLKINNEWLATVENISFELSKGEVLGIVGESGCGKSILSKSIIKLLPEKISKLSSGEVIFDGKRIDTLNEKQLLDIRGNDIAMIFQEPMTALNPVFTIKNQLVESIKSHKKISKKEANNLAKDLLKKVGIARQDEILNSYPHQLSGGMRQRVMIAMAISCSPKLLIADEPTTALDVTIQAQILDLLKELQKETQMAIMMITHDLSVVAEFCDKVLVMYAGQIVEFGGIKEILHNPKHPYTQKLLSTIPKLKEGQKRLETIEGIVPSIQAFHVNKCRFANRCNKKLDICNNQSPKMHVCEDVIVRCHLYKNEYKEI
Complex: ATP_A_9(1XEF) / Model_72(1XEF/A) = [3.7] Download774.082.19MNNVLLEVKDLETSLKINNEWLATVENISFELSKGEVLGIVGESGCGKSILSKSIIKLLPEKISKLSSGEVIFDGKRIDTLNEKQLLDIRGNDIAMIFQEPMTALNPVFTIKNQLVESIKSHKKISKKEANNLAKDLLKKVGIARQDEILNSYPHQLSGGMRQRVMIAMAISCSPKLLIADEPTTALDVTIQAQILDLLKELQKETQMAIMMITHDLSVVAEFCDKVLVMYAGQIVEFGGIKEILHNPKHPYTQKLLSTIPKLKEGQKRLETIEGIVPSIQAFHVNKCRFANRCNKKLDICNNQSPKMHVCEDVIVRCHLYKNEYKEI
Complex: ADP_B_2(2FF7) / Model_56(2FF7/A) = [3.9] Download365.860.33MNNVLLEVKDLETSLKINNEWLATVENISFELSKGEVLGIVGESGCGKSILSKSIIKLLPEKISKLSSGEVIFDGKRIDTLNEKQLLDIRGNDIAMIFQEPMTALNPVFTIKNQLVESIKSHKKISKKEANNLAKDLLKKVGIARQDEILNSYPHQLSGGMRQRVMIAMAISCSPKLLIADEPTTALDVTIQAQILDLLKELQKETQMAIMMITHDLSVVAEFCDKVLVMYAGQIVEFGGIKEILHNPKHPYTQKLLSTIPKLKEGQKRLETIEGIVPSIQAFHVNKCRFANRCNKKLDICNNQSPKMHVCEDVIVRCHLYKNEYKEI
Complex: ATP_F_6(2FGJ) / Model_66(2FGJ/B) = [3.9] Download933.522.19MNNVLLEVKDLETSLKINNEWLATVENISFELSKGEVLGIVGESGCGKSILSKSIIKLLPEKISKLSSGEVIFDGKRIDTLNEKQLLDIRGNDIAMIFQEPMTALNPVFTIKNQLVESIKSHKKISKKEANNLAKDLLKKVGIARQDEILNSYPHQLSGGMRQRVMIAMAISCSPKLLIADEPTTALDVTIQAQILDLLKELQKETQMAIMMITHDLSVVAEFCDKVLVMYAGQIVEFGGIKEILHNPKHPYTQKLLSTIPKLKEGQKRLETIEGIVPSIQAFHVNKCRFANRCNKKLDICNNQSPKMHVCEDVIVRCHLYKNEYKEI
Consensus
[pKd Mean = 3.74]
-718
(s=190)
5
(s=5)
MNNVLLEVKDLETSLKINNEWLATVENISFELSKGEVLGIVGESGCGKSILSKSIIKLLPEKISKLSSGEVIFDGKRIDTLNEKQLLDIRGNDIAMIFQEPMTALNPVFTIKNQLVESIKSHKKISKKEANNLAKDLLKKVGIARQDEILNSYPHQLSGGMRQRVMIAMAISCSPKLLIADEPTTALDVTIQAQILDLLKELQKETQMAIMMITHDLSVVAEFCDKVLVMYAGQIVEFGGIKEILHNPKHPYTQKLLSTIPKLKEGQKRLETIEGIVPSIQAFHVNKCRFANRCNKKLDICNNQSPKMHVCEDVIVRCHLYKNEYKEI